5-methyl-3,6-dihydro-2H-pyran

C6H10O — CID 13166771

IUPAC5-methyl-3,6-dihydro-2H-pyran
SMILESCC1=CCCOC1
InChIInChI=1S/C6H10O/c1-6-3-2-4-7-5-6/h3H,2,4-5H2,1H3
InChIKeyKMAPCBIJJHUFEQ-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.35
Rot. Bonds

About 5-methyl-3,6-dihydro-2H-pyran

5-methyl-3,6-dihydro-2H-pyran (PubChem CID 13166771) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 5-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name5-methyl-3,6-dihydro-2H-pyran
PubChem CID13166771
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name5-methyl-3,6-dihydro-2H-pyran
SMILESCC1=CCCOC1
InChIInChI=1S/C6H10O/c1-6-3-2-4-7-5-6/h3H,2,4-5H2,1H3
InChIKeyKMAPCBIJJHUFEQ-UHFFFAOYSA-N
XLogP1.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of 5-methyl-3,6-dihydro-2H-pyran (CID 13166771) is 5-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 5-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 5-methyl-3,6-dihydro-2H-pyran is CC1=CCCOC1.
What is the InChIKey of 5-methyl-3,6-dihydro-2H-pyran?
The InChIKey is KMAPCBIJJHUFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-6-3-2-4-7-5-6/h3H,2,4-5H2,1H3.
What are the key properties of 5-methyl-3,6-dihydro-2H-pyran?
5-methyl-3,6-dihydro-2H-pyran has a molecular weight of 98.14 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 13166771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).